Results 11 to 20 of about 803,380 (297)
The benefits of in silico modeling to identify possible small-molecule drugs and their off-target interactions [PDF]
, 2018 Accepted for publication in a future issue of Future Medicinal Chemistry.The research into the use of small molecules as drugs continues to be a key driver in the development of molecular databases, computer-aided drug design software and collaborative ...
Blomberg N +6 more
core +2 more sources
Emerging drug design strategies in anti-influenza drug discovery
Acta Pharmaceutica Sinica B, 2023 Influenza is an acute respiratory infection caused by influenza viruses (IFV), According to the World Health Organization (WHO), seasonal IFV epidemics result in approximately 3-5 million cases of severe illness, leading to about half a million deaths worldwide, along with severe economic losses and social burdens.
Chuanfeng Liu +7 more
openaire +3 more sources
Computational structure‐based drug design: Predicting target flexibility [PDF]
, 2018 The role of molecular modeling in drug design has experienced a significant revamp in the last decade. The increase in computational resources and molecular models, along with software developments, is finally introducing a competitive advantage in early
Ding X. +4 more
core +2 more sources
Scientific Reports, 2017 An efficient and environmentally friendly method was designed for the oxidation of sulfides to sulfoxides with a recyclable, carbon-skeleton-based heterogeneous catalyst developed by titanium sulfate [Ti(SO4)2] mineralization on the surface of graphene ...
Qinghe Wang +9 more
doaj +1 more source
Molecules, 2016 Ampakine compounds have been shown to reverse opiate-induced respiratory depression by activation of amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) glutamate receptors.
Dian Xiao +6 more
doaj +1 more source
Benchmarking network propagation methods for disease gene identification [PDF]
, 2019 In-silico identification of potential target genes for disease is an essential aspect of drug target discovery. Recent studies suggest that successful targets can be found through by leveraging genetic, genomic and protein interaction information.
Barrett, Steven J. +5 more
core +2 more sources
Molecules, 2018 A series of novel 2,4-diaminoquinazoline derivatives were designed, synthesized, and evaluated as p21-activated kinase 4 (PAK4) inhibitors. All compounds showed significant inhibitory activity against PAK4 (half-maximal inhibitory concentration IC50 <
Tianxiao Wu +9 more
doaj +1 more source
Hot-spot analysis for drug discovery targeting protein-protein interactions [PDF]
, 2018 Introduction: Protein-protein interactions are important for biological processes and pathological situations, and are attractive targets for drug discovery. However, rational drug design targeting protein-protein interactions is still highly challenging.
Fernández-Recio, Juan, Rosell, Mireia
core +2 more sources
A Fragment-Based Approach for the Development of G-Quadruplex Ligands: Role of the Amidoxime Moiety [PDF]
, 2018 G-quadruplex (G4) nucleic acid structures have been reported to be involved in several human pathologies, including cancer, neurodegenerative disorders and infectious diseases; however, G4 targeting compounds still need implementation in terms of drug ...
Butovskaya, Elena +7 more
core +2 more sources
Molecules, 2020 Both HDACs and Mnks play important role in translating multiple oncogenic signaling pathways during oncogenesis. As HDAC and Mnk are highly expressed in a variety of tumors; thus simultaneous inhibit HDAC and Mnk can increase the inhibition of tumor cell
Kun Xing +5 more
doaj +1 more source